Ca3Sn8
Alexandria ALEXAlex-ID: agm002141017 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8_11_spg2
CaSn3 CaSn
2023-03-24 16:46:57.818583
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002141017).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm002141017
data_agm002141017
_cell_length_a 5.28143
_cell_length_b 3.44752
_cell_length_c 17.26791
_cell_angle_alpha 95.61309
_cell_angle_beta 98.47890
_cell_angle_gamma 90.01454
_cell_volume 309.44939
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Ca2 Ca 0.36263 0.86703 0.72902 1.00000
Ca3 Ca 0.63737 0.13297 0.27098 1.00000
Sn1 Sn 0.27115 0.27200 0.54286 1.00000
Sn2 Sn 0.72885 0.72800 0.45714 1.00000
Sn3 Sn 0.45154 0.45614 0.90980 1.00000
Sn4 Sn 0.54846 0.54386 0.09020 1.00000
Sn5 Sn 0.09157 0.58809 0.17625 1.00000
Sn6 Sn 0.90843 0.41191 0.82375 1.00000
Sn7 Sn 0.17812 0.67169 0.35441 1.00000
Sn8 Sn 0.82188 0.32831 0.64559 1.00000
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